Information card for entry 7123405

Structure parameters

• Formula: C90 H108 Cl4 F6 Mn N12 O8 Sb
• Calculated formula: C90 H108.686 Cl4 F6 Mn N12 O8 Sb
• Title of publication: Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange
• Authors of publication: McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 25.6866 ± 0.0004 Å
• b: 31.2724 ± 0.0005 Å
• c: 11.2657 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9049.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No